SCHEMBL2890776

SCHEMBL2890776

Cn1nc(C(F)(F)F)c(CSc2ncc(Br)s2)c1OC(F)F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4181242 0.87 MEN1 (0.34) MEN1KMT2ASMN1; SMN2
SCHEMBL4164764 0.87 MEN1 (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL2892161 0.81 CYP2C9 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL19376824 0.79 NPC1 (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL1029700 0.79 MEN1 (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL2892163 0.78 ALOX5AP (0.30)
SCHEMBL2885013 0.78 ALOX5AP (0.30)
SCHEMBL2885014 0.78 ALOX5AP (0.30)
SCHEMBL4161956 0.77 MPO (0.31) MEN1KMT2ASMN1; SMN2
SCHEMBL26103877 0.76 MEN1 (0.33) MEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227458-B1 Chiral 2-(Benzylsulfinyl)-thiazol derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]-thiazol derivatives with S-configuration as herbicide plant growth regulators BAYER IP GMBH (DE) 2016-06-22 EP disclosed
US-8754234-B2 Chiral 2-(benzylsulfinyl)thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2014-06-17 US disclosed
US-20100285958-A1 Chiral 2-(benzylsulfinyl)Thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-11-11 US disclosed
EP-2065374-A1 2-(benzyl- and 1H-pyrazol-4-ylmethyl)sulfinyl-thiazol-derivatives as herbicides and plant growth regulators Bayer CropScience AG (DE) 2009-06-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100285958-A1 Chiral 2-(benzylsulfinyl)Thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators STS, SULT2A1, SLTM MEN1 4644/4885KMT2A 2053/4885SMN1; SMN2 4145/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.